CID 68910

71680-64-3

Structural Information

Molecular Formula
C6H8N6
SMILES
CC1=NN2C(=C1)N=C(N=C2N)N
InChI
InChI=1S/C6H8N6/c1-3-2-4-9-5(7)10-6(8)12(4)11-3/h2H,1H3,(H4,7,8,9,10)
InChIKey
CDMRMPWJHYFXJJ-UHFFFAOYSA-N
Compound name
7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

62
Patents

164.08104 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.08832 132.5
[M+Na]+ 187.07026 145.0
[M-H]- 163.07376 132.6
[M+NH4]+ 182.11486 150.4
[M+K]+ 203.04420 141.3
[M+H-H2O]+ 147.07830 124.4
[M+HCOO]- 209.07924 155.7
[M+CH3COO]- 223.09489 146.1
[M+Na-2H]- 185.05571 140.5
[M]+ 164.08049 132.3
[M]- 164.08159 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe